N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine

C8H11NOS — CID 134481194

IUPACN-(2-methyl-6-methylsulfanylphenyl)hydroxylamine
SMILESCSc1cccc(C)c1NO
InChIInChI=1S/C8H11NOS/c1-6-4-3-5-7(11-2)8(6)9-10/h3-5,9-10H,1-2H3
InChIKeyGURHAIBVTMVMIF-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.52
Rot. Bonds2

About N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine

N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine (PubChem CID 134481194) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-6-methylsulfanylphenyl)hydroxylamine
PubChem CID134481194
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-(2-methyl-6-methylsulfanylphenyl)hydroxylamine
SMILESCSc1cccc(C)c1NO
InChIInChI=1S/C8H11NOS/c1-6-4-3-5-7(11-2)8(6)9-10/h3-5,9-10H,1-2H3
InChIKeyGURHAIBVTMVMIF-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
2-iodo-1-methyl-3-methylsulfanylbenzene
CID 91881115
CID 68562978
CID 68562978
azane;2-methyl-1,3-bis(methylsulfanyl)benzene
CID 18755719
ethene;1-methyl-5-methylsulfanylnaphthalene;propane
CID 165122097
1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole
CID 146578426
N-(2-anilino-6-methylphenyl)hydroxylamine
CID 88948360
(2-bromo-6-methylsulfanylphenyl)hydrazine
CID 131212984
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124617715
ethyl 2-methyl-6-methylsulfanylbenzoate
CID 91880992
1-methyl-3-methylsulfanyl-2-[(2E)-penta-2,4-dien-2-yl]benzene
CID 145447522
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine?
The IUPAC name of N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine (CID 134481194) is N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine.
What is the SMILES notation for N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine?
The canonical SMILES for N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine is CSc1cccc(C)c1NO.
What is the InChIKey of N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine?
The InChIKey is GURHAIBVTMVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6-4-3-5-7(11-2)8(6)9-10/h3-5,9-10H,1-2H3.
What are the key properties of N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine?
N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine has a molecular weight of 169.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine is sourced from PubChem (CID 134481194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).